2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol

C14H14F2N2O — CID 81406203

IUPAC2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
SMILESC[C@H](NCc1cc(F)c(O)c(F)c1)c1ccncc1
InChIInChI=1S/C14H14F2N2O/c1-9(11-2-4-17-5-3-11)18-8-10-6-12(15)14(19)13(16)7-10/h2-7,9,18-19H,8H2,1H3/t9-/m0/s1
InChIKeyKYWWUGAFAJNLFF-VIFPVBQESA-N
MW264.27 g/mol
LogP2.92
Rot. Bonds4

About 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol

2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol (PubChem CID 81406203) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
PubChem CID81406203
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
SMILESC[C@H](NCc1cc(F)c(O)c(F)c1)c1ccncc1
InChIInChI=1S/C14H14F2N2O/c1-9(11-2-4-17-5-3-11)18-8-10-6-12(15)14(19)13(16)7-10/h2-7,9,18-19H,8H2,1H3/t9-/m0/s1
InChIKeyKYWWUGAFAJNLFF-VIFPVBQESA-N
XLogP2.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349588
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
CID 81359778
2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 79831415
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406046
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol (CID 81406203) is 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol is C[C@H](NCc1cc(F)c(O)c(F)c1)c1ccncc1.
What is the InChIKey of 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol?
The InChIKey is KYWWUGAFAJNLFF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9(11-2-4-17-5-3-11)18-8-10-6-12(15)14(19)13(16)7-10/h2-7,9,18-19H,8H2,1H3/t9-/m0/s1.
What are the key properties of 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol?
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol has a molecular weight of 264.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 81406203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).